Molecule:100837: Difference between revisions

InChI	1S/2C10H8N2.CH2O.ClH.F6P.Ru/c21-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2;;1-7(2,3,4,5)6;/h21-8H;1H2;1H;;/q;;;;-1;+2/p-1
InChI-Key	WUXWMOMXGWJDBM-UHFFFAOYSA-M
SMILES	F[P-](F)(F)(F)(F)F.c1cc[n]2[Ru+2](C=O)([Cl-])([n]3ccccc3-c2c1)1[n]2ccccc2-c2cccc[n]21

Latest revision as of 16:14, 9 January 2024

‎

Click here to copy MOL-file.

Click here to show SMILES and InChI.

Belongs to molecule collection: Molecule:100836 ‎

publication

Investigation type
Photocatalytic CO2 conversion experiments
Cyclic Voltammetry experiments

@@ Line 6: / Line 6: @@
 |synonyms=
 |hasVendors=
-|moleculeKey=MGJRIOOPVXEIGZ-UHFFFAOYSA-N
+|moleculeKey=WUXWMOMXGWJDBM-UHFFFAOYSA-M
 |molOrRxn=
-   -INDIGO-01092416102D
+   -INDIGO-01092416132D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 46: / Line 46: @@
 M  V30 31 C 6.50308 -9.64824 0.0 0
 M  V30 32 Ru 6.48118 -5.65053 0.0 0 CHG=2
-M  V30 33 Cl 7.4972 -6.22553 0.0 0
+M  V30 33 Cl 7.4972 -6.22553 0.0 0 CHG=-1
 M  V30 34 C 7.4971 -4.94171 0.0 0
-M  V30 35 O 8.93222 -4.50533 0.0 0
+M  V30 35 O 8.68222 -4.23033 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 88: / Line 88: @@
 M  V30 36 10 32 18
 M  V30 37 10 32 33
-M  V30 38 1 34 35
+M  V30 38 2 34 35
 M  V30 39 10 32 34
 M  V30 END BOND
@@ Line 94: / Line 94: @@
 M  END
-|smiles=F[P-](F)(F)(F)(F)F.c1cc[n]2[Ru+2](CO)(Cl)([n]3ccccc3-c2c1)1[n]2ccccc2-c2cccc[n]21
+|smiles=F[P-](F)(F)(F)(F)F.c1cc[n]2[Ru+2](C=O)([Cl-])([n]3ccccc3-c2c1)1[n]2ccccc2-c2cccc[n]21
-|inchi=1S/2C10H8N2.CH4O.ClH.F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2;;1-7(2,3,4,5)6;/h2*1-8H;2H,1H3;1H;;/q;;;;-1;+2
+|inchi=1S/2C10H8N2.CH2O.ClH.F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2;;1-7(2,3,4,5)6;/h2*1-8H;1H2;1H;;/q;;;;-1;+2/p-1
-|inchikey=MGJRIOOPVXEIGZ-UHFFFAOYSA-N
+|inchikey=WUXWMOMXGWJDBM-UHFFFAOYSA-M
 |width=200
 |height=200